4-fluoro-2,6-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide

C14H17FN2O3S — CID 106150826

IUPAC4-fluoro-2,6-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
SMILESCc1cnc(C(C)NS(=O)(=O)c2c(C)cc(F)cc2C)o1
InChIInChI=1S/C14H17FN2O3S/c1-8-5-12(15)6-9(2)13(8)21(18,19)17-11(4)14-16-7-10(3)20-14/h5-7,11,17H,1-4H3
InChIKeyJJRCOTYWWJEEMS-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.78
Rot. Bonds4

About 4-fluoro-2,6-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide

4-fluoro-2,6-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide (PubChem CID 106150826) has the molecular formula C14H17FN2O3S and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-fluoro-2,6-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2,6-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
PubChem CID106150826
Molecular FormulaC14H17FN2O3S
Molecular Weight312.37 g/mol
Exact Mass312.09
IUPAC Name4-fluoro-2,6-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
SMILESCc1cnc(C(C)NS(=O)(=O)c2c(C)cc(F)cc2C)o1
InChIInChI=1S/C14H17FN2O3S/c1-8-5-12(15)6-9(2)13(8)21(18,19)17-11(4)14-16-7-10(3)20-14/h5-7,11,17H,1-4H3
InChIKeyJJRCOTYWWJEEMS-UHFFFAOYSA-N
XLogP2.78
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,6-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-2,6-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide (CID 106150826) is 4-fluoro-2,6-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2,6-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-2,6-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide is Cc1cnc(C(C)NS(=O)(=O)c2c(C)cc(F)cc2C)o1.
What is the InChIKey of 4-fluoro-2,6-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is JJRCOTYWWJEEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3S/c1-8-5-12(15)6-9(2)13(8)21(18,19)17-11(4)14-16-7-10(3)20-14/h5-7,11,17H,1-4H3.
What are the key properties of 4-fluoro-2,6-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide?
4-fluoro-2,6-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide has a molecular weight of 312.37 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2,6-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 106150826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).